N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C22H28F3N5O — CID 25212748

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NC2CCc3ccccc32)CC1
InChIInChI=1S/C22H28F3N5O/c1-26-10-13-29-11-8-16(9-12-29)30-19(14-20(28-30)22(23,24)25)21(31)27-18-7-6-15-4-2-3-5-17(15)18/h2-5,14,16,18,26H,6-13H2,1H3,(H,27,31)
InChIKeyZCFJACLDSGIDIH-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.18
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 25212748) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID25212748
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NC2CCc3ccccc32)CC1
InChIInChI=1S/C22H28F3N5O/c1-26-10-13-29-11-8-16(9-12-29)30-19(14-20(28-30)22(23,24)25)21(31)27-18-7-6-15-4-2-3-5-17(15)18/h2-5,14,16,18,26H,6-13H2,1H3,(H,27,31)
InChIKeyZCFJACLDSGIDIH-UHFFFAOYSA-N
XLogP3.18
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-N-[[2-(methylamino)phenyl]methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69299506
N-[(2-methoxynaphthalen-1-yl)methyl]-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 25213241
1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 57458606
1-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 58832549
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
tert-butyl N-[2-[4-[5-[(2-ethoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843228
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511478
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95159617
7-(3,4-dichlorophenyl)-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843733
3-[1-[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide
CID 151027295
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 99642803

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 25212748) is N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CNCCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NC2CCc3ccccc32)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is ZCFJACLDSGIDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c1-26-10-13-29-11-8-16(9-12-29)30-19(14-20(28-30)22(23,24)25)21(31)27-18-7-6-15-4-2-3-5-17(15)18/h2-5,14,16,18,26H,6-13H2,1H3,(H,27,31).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-[1-[2-(methylamino)ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 25212748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).